Found 6 hits for monomerid = 50185295 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50185295
(CHEMBL3822883)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50185295
(CHEMBL3822883)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50185295
(CHEMBL3822883)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50185295
(CHEMBL3822883)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50185295
(CHEMBL3822883)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50185295
(CHEMBL3822883)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nnc(s3)S(N)(=O)=O)cc2)s1 Show InChI InChI=1S/C116H210N12O57S6/c117-188(133,134)115-125-123-113(186-115)127-190(137,138)107-5-1-105(2-6-107)121-111(131)11-9-109(129)119-13-15-141-17-19-143-21-23-145-25-27-147-29-31-149-33-35-151-37-39-153-41-43-155-45-47-157-49-51-159-53-55-161-57-59-163-61-63-165-65-67-167-69-71-169-73-75-171-77-79-173-81-83-175-85-87-177-89-91-179-93-95-181-97-99-183-101-103-185-104-102-184-100-98-182-96-94-180-92-90-178-88-86-176-84-82-174-80-78-172-76-74-170-72-70-168-68-66-166-64-62-164-60-58-162-56-54-160-52-50-158-48-46-156-44-42-154-40-38-152-36-34-150-32-30-148-28-26-146-24-22-144-20-18-142-16-14-120-110(130)10-12-112(132)122-106-3-7-108(8-4-106)191(139,140)128-114-124-126-116(187-114)189(118,135)136/h1-8H,9-104H2,(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,127)(H,124,128)(H2,117,133,134)(H2,118,135,136) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 181 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |